Debug Info

object
{15}
_id
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E6ZpiMa5Ab3
spectrumID
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E6ZpiMa5Ab3
cost
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1
specType
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131072
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dbLocation
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WMS3X:409227:1
hasStructureAssignments
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properties
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analyticalTechnique
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MS (GC)
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Mass Spectrum (GC)
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compound
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6,7,14,15-Tetrahydro-7,15-methanocycloocta[1,2-b : 5,6-b]di(1',8'-naphthyridine)
SpectraBase Compound ID 16vqdVglscD
InChI InChI=1S/C21H16N4/c1-3-12-7-14-9-16-11-17(18(14)24-20(12)22-5-1)10-15-8-13-4-2-6-23-21(13)25-19(15)16/h1-8,16-17H,9-11H2/t16-,17-/m0/s1
InChIKey MHRPVFWCSKEANW-IRXDYDNUSA-N
Mol Weight 324.39 g/mol
Molecular Formula C21H16N4
Exact Mass 324.137497 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E6ZpiMa5Ab3
Name 6,7,14,15-Tetrahydro-7,15-methanocycloocta[1,2-b : 5,6-b]di(1',8'-naphthyridine)
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16N4
InChI InChI=1S/C21H16N4/c1-3-12-7-14-9-16-11-17(18(14)24-20(12)22-5-1)10-15-8-13-4-2-6-23-21(13)25-19(15)16/h1-8,16-17H,9-11H2/t16-,17-/m0/s1
InChIKey MHRPVFWCSKEANW-IRXDYDNUSA-N
Molecular Weight 324.387 g/mol
SMILES c12nc3c(cc2C[C@@]2(c4nc5ncccc5cc4C[C@]1(C2)[H])[H])cccn3
SPLASH splash10-00di-1509000000-3b0c7b1c91dbefaea549
Source of Spectrum K1-2001-871-6
Wiley ID 846811
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